Geometry & MOs

Info

ID:	159858
PubChem CID:	57288825
Reduced:	N2O2C9H20 (1)
Stoich.:	A2B2C9D20 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	5.67
IP(EA), eV:	-8.98(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[1-(1-thiophen-3-ylpropan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](CCCC[C@H](C(=O)O)N)NC

DOS

IR

Vibrations