Geometry & MOs

Info

ID:	167050
PubChem CID:	74772689
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	380.105545
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	6.44
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)COC)C)C

DOS

IR

Vibrations