Geometry & MOs

Info

ID:	445048
PubChem CID:	135264391
Reduced:	SN3H25C33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	650.277421
ΔH_f, kcal/mol:	176.18
Dipole, Da:	4.15
IP(EA), eV:	-8.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S)-1-[3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2-carbonyl]sulfamoyl]acetate

Drug info:

PubChemData

Smile

C=CC(C/C=C/N1C2=C(C3=C(C=C2)SC=C3)C4=CC=CC=C41)C5=NC6=CC=CC=C6N5C7=CC=CC=C7

DOS

IR

Vibrations