Geometry & MOs

Info

ID:	437061
PubChem CID:	135214382
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	482.224615
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	4.98
IP(EA), eV:	-9.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-3-amino-4-[2-(2-azidoethyldisulfanyl)ethylamino]but-3-enyl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea

Drug info:

PubChemData

Smile

C[C@@]12CC=CC(=O)[C@@]1(C(=O)C3=C(C2)ON=C3OCC4=CC=CC=C4)O

DOS

IR

Vibrations