Geometry & MOs

Info

ID:	161259
PubChem CID:	57391180
Reduced:	O3N7C23H25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	515.199111
ΔH_f, kcal/mol:	16.41
Dipole, Da:	2.07
IP(EA), eV:	-7.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-[[3-(4-methoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)CN2C=C(C=N2)NC3=NC=NC4=CC(=C(C=C43)OC)OC

DOS

IR

Vibrations