Geometry & MOs

Info

ID:	178648
PubChem CID:	76362258
Reduced:	N5O6C19H33 (1)
Stoich.:	A5B6C19D33 (1)
Weight, g/mol:	450.139548
ΔH_f, kcal/mol:	-286.15
Dipole, Da:	2.36
IP(EA), eV:	-9.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(4-oxo-6-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)CC(=O)C2C(N(C(=O)NC2=O)CCOC)N

DOS

IR

Vibrations