Geometry & MOs

Info

ID:	321920
PubChem CID:	126667362
Reduced:	P3N5O30C37H66 (1)
Stoich.:	A3B5C30D37E66 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	-1562.23
Dipole, Da:	3.78
IP(EA), eV:	-9.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid

Drug info:

Smile

CC(CC1CN1)OC2C(C(C(C(O2)CO)OP(=O)(O)OC3C(C(C(C(O3)CO)OP(=O)(O)OC4C(C(C(C(O4)CO)OP(=O)(O)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C

DOS

IR

Vibrations