Geometry & MOs

Info

ID:	193307
PubChem CID:	78374307
Reduced:	S2N6O6C29H36 (1)
Stoich.:	A2B6C6D29E36 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	-199.43
Dipole, Da:	4.13
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(2,4-dioxo-4aH-quinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=C(N=C1SCC(=O)N(CCOC)C3C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)SC5=C2CCCC5

DOS

IR

Vibrations