Geometry & MOs

Info

ID:	218844
PubChem CID:	85090055
Reduced:	O10C27H32 (1)
Stoich.:	A10B27C32 (1)
Weight, g/mol:	516.233247
ΔH_f, kcal/mol:	-366.82
Dipole, Da:	3.87
IP(EA), eV:	-8.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[1-[3-[4-(diaminomethylideneamino)phenyl]prop-2-enoyl]pyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)OC)COC(=O)C

DOS

IR

Vibrations