Geometry & MOs

Info

ID:	147185
PubChem CID:	53786839
Reduced:	OC4H6 (5)
Stoich.:	AB4C6 (5)
Weight, g/mol:	535.075089
ΔH_f, kcal/mol:	-247.56
Dipole, Da:	4.95
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CC(=O)OC)C(=O)OC

DOS

IR

Vibrations