Geometry & MOs

Info

ID:	128082
PubChem CID:	51030415
Reduced:	N3O3H25C28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	460.168145
ΔH_f, kcal/mol:	10.25
Dipole, Da:	3.21
IP(EA), eV:	-8.86(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-4-(pyridin-2-ylmethylamino)-2-[1-[(sulfamoylamino)methyl]cyclopropyl]quinazoline

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=C(C=C2)C3=C(OC4=C(C3=O)C=CC5=C4N(N=C5)CCO)C6=CC=CC=C6)N

DOS

IR

Vibrations