Geometry & MOs

Info

ID:	32139
PubChem CID:	4266341
Reduced:	ClNO3H22C27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	422.1334
ΔH_f, kcal/mol:	-48.13
Dipole, Da:	2.95
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)N3CC4=C5C(=CC(=C4OC3)Cl)C(=CC(=O)O5)C6=CC=CC=C6

DOS

IR

Vibrations