Geometry & MOs

Info

ID:

297726

PubChem CID:

117627081

Reduced:

NOC16H19 (2)

Stoich.:

ABC16D19 (2)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-40.96

Dipole, Da:

6.14

IP(EA), eV:

 -8.84(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-[(3R)-3-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2(CCC(CC2)NC(=O)CCC3=CC(=CC=C3)C(=O)C4=CC=CC=C4)N(C)C

DOS

IR

Vibrations