Geometry & MOs

Info

ID:	436267
PubChem CID:	135196448
Reduced:	SN2O6C16H28 (1)
Stoich.:	AB2C6D16E28 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-310.12
Dipole, Da:	3.93
IP(EA), eV:	-9.49(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-amino-3-[3-[2-(butylamino)-2-oxoethyl]cyclobuten-1-yl]-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]butanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H](CCC(=O)N[C@@H](CSCC(C)(C)C)C(=O)O)C(=O)O

DOS

IR

Vibrations