Geometry & MOs

Info

ID:	217751
PubChem CID:	85088323
Reduced:	ClF2N2O4H13C18 (1)
Stoich.:	AB2C2D4E13F18 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-205.12
Dipole, Da:	1.77
IP(EA), eV:	-9.24(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC=CC=C1NC(=O)NC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations