Geometry & MOs

Info

ID:

185653

PubChem CID:

77325755

Reduced:

SN3O3C41H49 (1)

Stoich.:

AB3C3D41E49 (1)

Weight, g/mol:

545.300205

ΔHf, kcal/mol:

-84.2

Dipole, Da:

5.02

IP(EA), eV:

 -8.68(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[methyl-[2-(pyrrolidin-2-ylmethoxy)acetyl]amino]-1-[(6-naphthalen-2-yl-4-oxo-1-phenylhexan-3-yl)amino]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCNC(C2CC(C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations