Geometry & MOs

Info

ID:

178790

PubChem CID:

76382573

Reduced:

N2O2C18H23 (2)

Stoich.:

A2B2C18D23 (2)

Weight, g/mol:

1493.666458

ΔHf, kcal/mol:

-110.47

Dipole, Da:

1.87

IP(EA), eV:

 -9.22(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-[[3-[[7-[2-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoyl]amino]ethylcarbamoyloxy]-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-4-yl]methyl]phenyl]methylamino]-6-oxohexyl]sulfamoyl]-6-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCC(CC1)C2=CC=CC=C2C3=CC=CC=C3)NC(=O)C(CC4CCCCC4)NC(=O)C5=CC=NO5

DOS

IR

Vibrations