Geometry & MOs

Info

ID:	322202
PubChem CID:	126669205
Reduced:	ISF2N3O3H16C20 (1)
Stoich.:	ABC2D3E3F16G20 (1)
Weight, g/mol:	400.134697
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	8.59
IP(EA), eV:	-8.69(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(1H-indol-5-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)[C@@H]2CNC(=O)[C@H]2NC(=O)NC3=CC=C(C=C3)C#CSI)F

DOS

IR

Vibrations