Geometry & MOs

Info

ID:	131075
PubChem CID:	51151615
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	391.05315
ΔH_f, kcal/mol:	-102.75
Dipole, Da:	5.56
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-3-(carbamoylamino)-N-phenylmethoxypropanamide

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)C(=O)CCC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

DOS

IR

Vibrations