Geometry & MOs

Info

ID:	135140
PubChem CID:	51822119
Reduced:	NOC13H22 (2)
Stoich.:	ABC13D22 (2)
Weight, g/mol:	514.286529
ΔH_f, kcal/mol:	-149.98
Dipole, Da:	2.64
IP(EA), eV:	-8.88(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-[(2R)-2-phenylbutanoyl]amino]-3-ethyl-N-[(4-methylphenyl)sulfonylmethyl]pentanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N([C@H](C1=C(C=C(C=C1)C)C)C(=O)NCCCC)C(C)(C)C

DOS

IR

Vibrations