Geometry & MOs

Info

ID:	141448
PubChem CID:	52878048
Reduced:	N3O3C21H34 (1)
Stoich.:	A3B3C21D34 (1)
Weight, g/mol:	464.092119
ΔH_f, kcal/mol:	-91.06
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799586
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[2-[(4S)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2-methoxyanilino)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)[NH+]2CC[C@@H](C2)N3CCCC3

DOS

IR

Vibrations