Geometry & MOs

Info

ID:	313627
PubChem CID:	126616748
Reduced:	SO2N3C25H41 (1)
Stoich.:	AB2C3D25E41 (1)
Weight, g/mol:	447.291949
ΔH_f, kcal/mol:	-124.02
Dipole, Da:	3.21
IP(EA), eV:	-8.72(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-phenylpropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCSC)N)C(C)C

DOS

IR

Vibrations