Geometry & MOs

Info

ID:	84173
PubChem CID:	49864737
Reduced:	O4N5C18H31 (1)
Stoich.:	A4B5C18D31 (1)
Weight, g/mol:	202.131742
ΔH_f, kcal/mol:	-190.89
Dipole, Da:	5.55
IP(EA), eV:	-9.45(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N

DOS

IR

Vibrations