Geometry & MOs

Info

ID:	134879
PubChem CID:	51774266
Reduced:	N3O5C23H34 (1)
Stoich.:	A3B5C23D34 (1)
Weight, g/mol:	375.143035
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	3.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.026960
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-2-hydroxy-N-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])[O-]

DOS

IR

Vibrations