Geometry & MOs

Info

ID:	187640
PubChem CID:	77602015
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	505.98333
ΔH_f, kcal/mol:	18.71
Dipole, Da:	5.02
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl N-[2-[(4-bromothiophene-2-carbonyl)amino]-3-(2,4-dichlorophenyl)propyl]carbamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)N2C=CCC3=NC(=O)C4=CC=CC=C4N=C32

DOS

IR

Vibrations