Geometry & MOs

Info

ID:	138743
PubChem CID:	52419070
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	312.134816
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	5.51
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S)-4-(3-aminoanilino)-3-(benzylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)[C@H](C)NC(=O)CCSC2=NN=NN2C

DOS

IR

Vibrations