Geometry & MOs

Info

ID:

306599

PubChem CID:

125092045

Reduced:

SCl2N3O5C30H35 (1)

Stoich.:

AB2C3D5E30F35 (1)

Weight, g/mol:

611.281778

ΔHf, kcal/mol:

-185.67

Dipole, Da:

9.51

IP(EA), eV:

 -9.0(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]-benzylamino]-N-tert-butyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC(=CC=C1)OC)C(=O)CN(C2=CC(=CC(=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations