Geometry & MOs

Info

ID:	436268
PubChem CID:	135196470
Reduced:	N3O3C21H37 (1)
Stoich.:	A3B3C21D37 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	-151.19
Dipole, Da:	4.57
IP(EA), eV:	-9.49(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropylsulfanyl)-2-(2-methylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CC1CC(=C1)[C@@H](C)C(C(=O)N[C@@H](C)C(=O)C(C)(C)C)N

DOS

IR

Vibrations