Geometry & MOs

Info

ID:	340184
PubChem CID:	127262193
Reduced:	N2F3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	428.180818
ΔH_f, kcal/mol:	-295.37
Dipole, Da:	4.07
IP(EA), eV:	-9.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)carbamoyl]-1-phenylpentyl] carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(C1=CC=CC=C1)OC(=O)N)C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)C(F)(F)F

DOS

IR

Vibrations