Geometry & MOs

Info

ID:	273473
PubChem CID:	103771180
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	291.161663
ΔH_f, kcal/mol:	-153.47
Dipole, Da:	4.73
IP(EA), eV:	-8.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-(2-hydroxy-4-methylpentyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations