Geometry & MOs

Info

ID:	241039
PubChem CID:	93621322
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	329.096476
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	6.55
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[(3R)-2-oxoazepan-3-yl]urea

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)NC1=CN(C(=O)C=C1)CC2=CC=CC=C2Cl

DOS

IR

Vibrations