Geometry & MOs

Info

ID:	189998
PubChem CID:	77938073
Reduced:	SN5O6C25H37 (1)
Stoich.:	AB5C6D25E37 (1)
Weight, g/mol:	647.298885
ΔH_f, kcal/mol:	-196.82
Dipole, Da:	2.8
IP(EA), eV:	-9.3(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[9-[2-[(2-anilino-2-oxoethyl)sulfonylcarbamoyl]cyclopropyl]-1-(2-carbamoylpyrrolidin-1-yl)-1-oxonon-8-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C2CC2C=CCCCCCC(C(=O)N3CCCC3C(=O)N)NC4=NC=CO4

DOS

IR

Vibrations