Geometry & MOs

Info

ID:	122062
PubChem CID:	50792417
Reduced:	OSN4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	20.35
Dipole, Da:	6.03
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-7-methyl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2C3=C(CN1C(=O)NC4=C(C=CC(=C4)C)C)C5=C(S3)CN(CC5)C

DOS

IR

Vibrations