Geometry & MOs

Info

ID:	148003
PubChem CID:	53787665
Reduced:	C6H11 (6)
Stoich.:	A6B11 (6)
Weight, g/mol:	562.209735
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	0.51
IP(EA), eV:	-9.35(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-[[(2S)-1-(4-methoxyphenyl)sulfonyl-3-oxoazepan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC=CC(CCCCCCCCCCCCC=C)(CCCCCCCCCCC=C)CCCCC=C

DOS

IR

Vibrations