Geometry & MOs

Info

ID:	315364
PubChem CID:	126625707
Reduced:	O3N4C9H18 (1)
Stoich.:	A3B4C9D18 (1)
Weight, g/mol:	541.130393
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	5.09
IP(EA), eV:	-10.01(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N-(3-chloro-5-fluorophenyl)-N'-[1,3-diamino-3-(3-fluoro-4-hydroxyphenyl)propyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(=O)N)NC(=O)N

DOS

IR

Vibrations