Geometry & MOs

Info

ID:	170084
PubChem CID:	75194848
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-192.05
Dipole, Da:	5.3
IP(EA), eV:	-9.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NC(C)(C)C(=O)OC

DOS

IR

Vibrations