Geometry & MOs

Info

ID:

47249

PubChem CID:

10530944

Reduced:

S2N4O9H22C23 (1)

Stoich.:

A2B4C9D22E23 (1)

Weight, g/mol:

562.253983

ΔHf, kcal/mol:

-225.79

Dipole, Da:

9.95

IP(EA), eV:

 -9.96(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (NE)-N-[[(3S)-3-[[(2S)-1-[(2R)-2-acetamido-2-phenylpropanoyl]azetidine-2-carbonyl]amino]-2-oxopiperidin-1-yl]-aminomethylidene]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations