Geometry & MOs

Info

ID:	173850
PubChem CID:	75690409
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	19.52
Dipole, Da:	4.88
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-4-methylsulfanyl-N-(4-pentylphenyl)butanamide

Drug info:

PubChemData

Smile

CN(C1CCC2=CC=CC=C12)C(=O)C3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations