Geometry & MOs

Info

ID:	241008
PubChem CID:	93621128
Reduced:	SN3O3C9H13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	271.153206
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	6.57
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-amino-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)N[C@H](C)CC(=O)O

DOS

IR

Vibrations