Geometry & MOs

Info

ID:	122730
PubChem CID:	50819247
Reduced:	O2F3N4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	458.172083
ΔH_f, kcal/mol:	-191.82
Dipole, Da:	2.85
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[N-(4-chloro-2-methylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=NCCN2CCOCC2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations