Geometry & MOs

Info

ID:	312610
PubChem CID:	126606793
Reduced:	N2O3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	433.1849
ΔH_f, kcal/mol:	-221.09
Dipole, Da:	6.04
IP(EA), eV:	-9.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1E,4S)-1-[4-(methoxycarbonylamino)-2-nitrophenyl]-3-oxohepta-1,6-dien-4-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1/C=C/C[C@@H](C2=NC(=CC(=C2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations