Geometry & MOs

Info

ID:	192389
PubChem CID:	78263800
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	276.159969
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	5.6
IP(EA), eV:	-8.64(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(4-butylbenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCCSC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations