Geometry & MOs

Info

ID:	189137
PubChem CID:	77821834
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	577.347549
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	2.07
IP(EA), eV:	-9.26(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-cyclopropyl-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=C)C1=CC2=C(C=C1)C(CC2)N

DOS

IR

Vibrations