Geometry & MOs

Info

ID:	134665
PubChem CID:	51736725
Reduced:	ClSN2O2C26H35 (1)
Stoich.:	ABC2D2E26F35 (1)
Weight, g/mol:	452.223056
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	5.64
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-(3-chloro-N-[(3R)-3-phenylbutanoyl]anilino)-N-cyclohexylpent-3-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C2=CC(=CC=C2)Cl)C(=O)CCS

DOS

IR

Vibrations