Geometry & MOs

Info

ID:	179152
PubChem CID:	76442786
Reduced:	SN2O6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	577.164745
ΔH_f, kcal/mol:	-152.51
Dipole, Da:	5.36
IP(EA), eV:	-9.29(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]-4-[[2-(3-chlorophenyl)-1-(1H-imidazol-5-yl)ethyl]amino]-3,4-dihydro-2H-chromene-8-carboxamide

Drug info:

PubChemData

Smile

CCSC1CC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(C)O

DOS

IR

Vibrations