Geometry & MOs

Info

ID:	197963
PubChem CID:	79022387
Reduced:	ClNSC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	19.24
Dipole, Da:	2.43
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-phenoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)C(C)Cl

DOS

IR

Vibrations